Mon Jul 04 16:17:17.183 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:17:17.186 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H6_OS_Plate09_H6\1\pdata\1
Mon Jul 04 16:17:17.193 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:17:17.197 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:17:17.200 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:17:17.268 CEST 2022: No HSQC data available
Mon Jul 04 16:17:17.281 CEST 2022: No C13 data available
Mon Jul 04 16:17:17.293 CEST 2022: No HMBC data available
Mon Jul 04 16:17:17.301 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:17:17.318 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:17:17.420 CEST 2022: Structure is used: true
Mon Jul 04 16:17:17.440 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H6_OS_Plate09_H6/1/H6_OS_Plate9_H6-2f7e1c39-272b-4316-a355-c356a12e52cd.mol
Mon Jul 04 16:17:17.442 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:17:17.448 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:17:17.451 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:17:17.454 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:17:17.456 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:17:17.458 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:17:17.461 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:17:17.463 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:17:17.468 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:17:17.470 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:17:17.473 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:17:17.475 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:17:17.477 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:17:17.480 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:17:17.482 CEST 2022: RMSD noise: 30747029.120 (-0.405/-0.905)
Mon Jul 04 16:17:17.485 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:17:17.487 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:17:17.491 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:17:17.515 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:17:17.596 CEST 2022: Number of Peaks: (77, 17)
Mon Jul 04 16:17:17.599 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:17:17.602 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:17:17.643 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:17:17.646 CEST 2022: Signal-to-Noise ratio: 2775.92 (1.485 ppm)
Mon Jul 04 16:17:17.648 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:17:17.651 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:17.653 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:17:17.677 CEST 2022: Number of Multiplets: 138
Mon Jul 04 16:17:17.680 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:17:17.723 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:17:17.729 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:17:17.739 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:17:17.882 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:17:17.906 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:17:17.910 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:17:17.914 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:17:17.917 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:17:17.919 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:17:18.049 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.13 s.
Mon Jul 04 16:17:18.230 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 16:17:18.280 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:17:18.625 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:17:18.628 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:18.630 CEST 2022: CMC-q finished in 1.45 s.
